SCHEMBL8871084

SCHEMBL8871084

COc1ccc(OC(F)(F)F)cc1CNc1cccnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TACR1 P25103 9/20 0.43
KCNH2 Q12809 2/20 0.43
CYP2D6 P10635 1/20 0.43
POLB P06746 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
DHFR P00374 1/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PTBP1 P26599 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8871739 0.84 TACR1 (0.45) MAPTTACR1KCNH2CYP2D6HTR1A
SCHEMBL8872302 0.78 L3MBTL1 (0.58) MAPTMEN1KMT2ACYP2D6POLB
SCHEMBL15118586 0.74 KCNH2 (0.50) TACR1KCNH2CYP2D6HTR1AHTR2A
SCHEMBL13351975 0.72 NPC1 (0.52) POLBALDH1A1LMNA
SCHEMBL3205585 0.71 HCRTR1 (0.46) TACR1KCNH2CYP2D6HTR1AHTR2A
SCHEMBL5768808 0.71 TACR1 (0.50) TACR1KCNH2CYP2D6HTR1AHTR2A
SCHEMBL22220774 0.69 HCRTR1 (0.49) TACR1KCNH2CYP2D6HTR1AHTR2A
SCHEMBL5598110 0.68 PPARG (0.50) TACR1KCNH2CYP2D6ALDH1A1HTT
SCHEMBL15173398 0.68 ADRA1A (0.51) TACR1KCNH2CYP2D6HTR1AHTR2A
SCHEMBL3202940 0.68 TACR1 (0.46) TACR1KCNH2CYP2D6HTR1AHTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663349-A Preparation of substituted piperidenes PFIZER INC (US) 1997-09-02 US disclosed
EP-0619806-B1 PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER (US) 1996-01-03 EP disclosed
US-5364943-A Preparation of substituted piperidines PFIZER INC. (US) 1994-11-15 US disclosed
EP-0619806-A1 PREPARATION OF SUBSTITUTED PIPERIDINES. PFIZER (US) 1994-10-19 EP disclosed
WO-1993011110-A1 PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER INC. (US) 1993-06-10 WO disclosed